General Information of the Compound
| Compound ID |
CP0066831
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| Compound Name |
N-[1-[[4-[3-[6-(4-methoxyphenyl)pyridazin-3-yl]propylamino]phenyl]methyl]piperidin-4-yl]acetamide
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| Structure |
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| Formula |
C28H35N5O2
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| Molecular Weight |
473.621
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| Canonical SMILES |
COc1ccc(cc1)-c1ccc(CCCNc2ccc(CN3CCC(CC3)NC(C)=O)cc2)nn1
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| InChI |
InChI=1S/C28H35N5O2/c1-21(34)30-25-15-18-33(19-16-25)20-22-5-9-24(10-6-22)29-17-3-4-26-11-14-28(32-31-26)23-7-12-27(35-2)13-8-23/h5-14,25,29H,3-4,15-20H2,1-2H3,(H,30,34)
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| InChIKey |
SAYDHMAEZCXKDT-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound